N'-[3-(4-chloro-2,5-dimethylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine

C18H22ClN5 — CID 142655022

IUPACN'-[3-(4-chloro-2,5-dimethylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
SMILESCc1cc(NCCN)n2nc(C)c(-c3cc(C)c(Cl)cc3C)c2n1
InChIInChI=1S/C18H22ClN5/c1-10-8-15(19)11(2)7-14(10)17-13(4)23-24-16(21-6-5-20)9-12(3)22-18(17)24/h7-9,21H,5-6,20H2,1-4H3
InChIKeyXZZAHWKJOYMGTN-UHFFFAOYSA-N
MW343.86 g/mol
LogP3.65
Rot. Bonds4

About N'-[3-(4-chloro-2,5-dimethylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine

N'-[3-(4-chloro-2,5-dimethylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine (PubChem CID 142655022) has the molecular formula C18H22ClN5 and a molecular weight of 343.86 g/mol. Its IUPAC name is N'-[3-(4-chloro-2,5-dimethylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-(4-chloro-2,5-dimethylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
PubChem CID142655022
Molecular FormulaC18H22ClN5
Molecular Weight343.86 g/mol
Exact Mass343.16
IUPAC NameN'-[3-(4-chloro-2,5-dimethylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
SMILESCc1cc(NCCN)n2nc(C)c(-c3cc(C)c(Cl)cc3C)c2n1
InChIInChI=1S/C18H22ClN5/c1-10-8-15(19)11(2)7-14(10)17-13(4)23-24-16(21-6-5-20)9-12(3)22-18(17)24/h7-9,21H,5-6,20H2,1-4H3
InChIKeyXZZAHWKJOYMGTN-UHFFFAOYSA-N
XLogP3.65
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3815077
N-butyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 2044926
N'-[2-(2-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
CID 82270620
N'-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
CID 18406994
3-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 59777421
N-(2-methoxyethyl)-2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 4905434
3-(4-chlorophenyl)-N-(2,2-dimethoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4559446
2-[[3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol
CID 16668304
N-benzyl-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4183438
3-(2-methoxyphenyl)-2,5-dimethyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 4900741
3-(4-chlorophenyl)-2,5-dimethyl-N-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 4639362
3,5-dichloro-4-[2,5-dimethyl-7-[2-(oxan-4-ylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenol;hydrobromide
CID 22617884

Frequently Asked Questions

What is the IUPAC name of N'-[3-(4-chloro-2,5-dimethylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine?
The IUPAC name of N'-[3-(4-chloro-2,5-dimethylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine (CID 142655022) is N'-[3-(4-chloro-2,5-dimethylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[3-(4-chloro-2,5-dimethylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[3-(4-chloro-2,5-dimethylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine is Cc1cc(NCCN)n2nc(C)c(-c3cc(C)c(Cl)cc3C)c2n1.
What is the InChIKey of N'-[3-(4-chloro-2,5-dimethylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine?
The InChIKey is XZZAHWKJOYMGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5/c1-10-8-15(19)11(2)7-14(10)17-13(4)23-24-16(21-6-5-20)9-12(3)22-18(17)24/h7-9,21H,5-6,20H2,1-4H3.
What are the key properties of N'-[3-(4-chloro-2,5-dimethylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine?
N'-[3-(4-chloro-2,5-dimethylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine has a molecular weight of 343.86 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(4-chloro-2,5-dimethylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine is sourced from PubChem (CID 142655022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).